3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-[(4-benzyloxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(N'E)-N'-(4-benzoxybenzylidene)hydrazino]-3-methyl-xanthine Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)CC=C

InChI

InChI=1S/C23H22N6O3/c1-3-13-29-19-20(28(2)23(31)26-21(19)30)25-22(29)27-24-14-16-9-11-18(12-10-16)32-15-17-7-5-4-6-8-17/h3-12,14H,1,13,15H2,2H3,(H,25,27)(H,26,30,31)/b24-14+